2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide

C19H23N3O3 — CID 76871907

IUPAC2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide
SMILESCOc1ccc(CC(=O)N/C(N)=N/Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-13-4-6-14(7-5-13)12-21-19(20)22-18(23)11-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H3,20,21,22,23)
InChIKeyLDSKOSCPBKZJCO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.19
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide (PubChem CID 76871907) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide
PubChem CID76871907
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide
SMILESCOc1ccc(CC(=O)N/C(N)=N/Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-13-4-6-14(7-5-13)12-21-19(20)22-18(23)11-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H3,20,21,22,23)
InChIKeyLDSKOSCPBKZJCO-UHFFFAOYSA-N
XLogP2.19
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide (CID 76871907) is 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide is COc1ccc(CC(=O)N/C(N)=N/Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide?
The InChIKey is LDSKOSCPBKZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-6-14(7-5-13)12-21-19(20)22-18(23)11-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H3,20,21,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[N'-[(4-methylphenyl)methyl]carbamimidoyl]acetamide is sourced from PubChem (CID 76871907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).